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PUBCHEM-ZINC02140922

MMsINC code: MMs02875984

Type: Neutral
Formula: C28H28P2
SMILES:   P(CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=101.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.48 g/mol  logS: -6.61192  SlogP: 6.0324  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0480123  Sterimol/B1: 3.42847  Sterimol/B2: 3.53002  Sterimol/B3: 3.6945
  Sterimol/B4: 9.29256  Sterimol/L: 18.4196 
 
 Surface and Volume Properties
  Accessible surface: 758.135  Positive charged surface: 431.564  Negative charged surface: 326.571  Volume: 447
  Hydrophobic surface: 758.135  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.